BJ7QR5 -OEChem-04022118133D 35 37 0 0 0 0 0 0 0999 V2000 -4.1341 -1.4050 0.1099 S 0 0 0 0 0 0 0 0 0 0 0 0 8.2155 -0.7365 0.4436 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0826 0.3776 0.4232 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3134 1.7165 -0.2529 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3029 -2.9070 0.0566 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5489 -0.5944 -0.1133 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0056 1.0152 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8069 0.1690 -0.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7422 0.5864 0.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2510 -0.0726 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3989 1.0113 1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2385 0.8047 -1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 0.7969 1.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 0.5902 -0.9405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 1.2394 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3979 0.2916 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 1.0027 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 -1.3697 -0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 0.7778 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0398 -1.5945 0.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8435 0.5937 -0.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9266 -0.5208 0.1494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8514 -1.7728 0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7371 1.0501 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 -0.7085 -1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9831 1.1744 2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6975 0.8064 -2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 0.7951 2.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6675 0.4366 -1.8728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7195 2.2867 -0.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7849 2.0187 -0.5573 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0154 -2.2135 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1619 1.6136 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3946 -2.6054 0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5613 -0.5965 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 23 1 0 0 0 0 2 22 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 21 2 0 0 0 0 5 23 2 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 6 35 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 M END $$$$